Related papers: Broken Symmetry in Density-Functional Theory: Anal…
We present general results for one-dimensional systems of point charges (signed point measures) on the line with a translation invariant distribution $\mu$ for which the variance of the total charge in an interval is uniformly bounded…
For the problem of molecular solvation, formulated as a liquid submitted to the external potential field created by a molecular solute of arbitrary shape dissolved in that solvent, we draw a connection between the Gaussian field theory…
The electron-phonon interaction plays a crucial role in many fields of physics and chemistry. Nevertheless, its actual calculation by means of modern many-body perturbation theory is weakened by the use of model Hamiltonians that are based…
Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…
We propose a mean field theory for the localization of damage in a quasistatic fuse model on a cylinder. Depending on the quenched disorder distribution of the fuse thresholds, we show analytically that the system can either stay in a…
It is widely believed that mean-field theory is exact for a wide-range of classical long-range interacting systems. Is this also true once quantum fluctuations have been accounted for? As a test case we study the Hamiltonian Mean Field…
Tower of States analysis is a powerful tool for investigating phase transitions in condensed matter systems. Spontaneous symmetry breaking implies a specific structure of the energy eigenvalues and their corresponding quantum numbers on…
The density functional theory of nuclear structure provides a many-particle wave function that is useful for static properties, but an extension of the theory is necessary to describe correlation effects or other dynamic properties. Here we…
We express the partition function for an equilibrium system of interacting particles in the canonical ensemble as a functional integration over the particles' density field. We outline a method to evaluate the partition function by…
Symmetry is one of the most general and useful concepts in physics. A theory or a system that has a symmetry is fundamentally constrained by it. The same constraints do not apply when the symmetry is broken. The quantitative determination…
Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…
An alternative approach to density functional theory based on self-consistent field theory for ring polymers is applied to neutral atoms hydrogen to neon in their ground states. The spontaneous emergence of atomic shell structure and…
We present a construction of a mean-field theory for thermodynamic and spectral properties of correlated electrons reliable in the strong-coupling limit. We introduce an effective interaction determined self-consistently from the reduced…
We consider free electrons in rectangular quantum dots, with either hard wall boundary conditions or anharmonic confinement. In both cases, due to finite size effects, a homogeneous electric field applied along one of the rectangular axis…
We investigate the spontaneous breaking of subsystem symmetries directly in the context of continuum field theories by calculating the correlation function of charged operators. Our methods confirm the lack of spontaneous symmetry breaking…
A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…
Quantum state wave functionals are constructed in exact form for the graviton-like field theory obtained by breaking down the topological symmetry of the string action related with the Euler characteristic of the world-surface; their…
Disordered and hyperuniform structures of densely packed spheres near and at jamming are characterized by vanishing of long-wavelength density fluctuations, or equivalently by long-range power-law decay of the direct correlation function…
The results of systematic calculations of isospin-symmetry-breaking corrections to superallowed beta-decays based on the self-consistent isospin- and angular-momentum-projected nuclear density functional theory (DFT) are reviewed with an…
Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…